5-(4,7-Dimethoxy-6-methyl-1,3-benzodioxol-5-yl)-4,7-dimethoxy-6-methyl-1,3-benzodioxole
PubChem CID: 387978
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| Compound Synonyms | NSC682344, CHEMBL229509, 5-(4,7-dimethoxy-6-methyl-1,3-benzodioxol-5-yl)-4,7-dimethoxy-6-methyl-1,3-benzodioxole, CHEBI:201158, BDBM50334070, NSC-682344, 2,2',5,5'-tetramethoxy-3,4,3'4'-bi-methylenedioxy-6,6'-dimethylbiphenyl, 2,5,5'-Tetramethoxy-3,4,3',4'-bi-methylenedioxy-6,6'-dimethylbiphenyl, 5,5'-Bi-1,3-benzodioxole, 4,4',7,7'-tetramethoxy-6,6'-dimethyl-, 2,2'',5,5''-tetramethoxy-3,4,3'',4''-bi-methylenedioxy-6,6''-dimethylbiphenyl, 2,2'',5,5''-tetramethoxy-3,4,3'',4''-bimethylene-dioxy-6,6''-dimethylbiphenyl, 2,2',5,5'-tetramethoxy-3,4,3'4'-bi- methylenedioxy-6,6'-dimethylbiphenyl |
|---|---|
| Topological Polar Surface Area | 73.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 486.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P29477 |
| Iupac Name | 5-(4,7-dimethoxy-6-methyl-1,3-benzodioxol-5-yl)-4,7-dimethoxy-6-methyl-1,3-benzodioxole |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C20H22O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HNKLCRIFLSAYAM-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.716 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.366 |
| Compound Name | 5-(4,7-Dimethoxy-6-methyl-1,3-benzodioxol-5-yl)-4,7-dimethoxy-6-methyl-1,3-benzodioxole |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 390.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.131 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 390.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.635248457142858 |
| Inchi | InChI=1S/C20H22O8/c1-9-11(15(23-5)19-17(13(9)21-3)25-7-27-19)12-10(2)14(22-4)18-20(16(12)24-6)28-8-26-18/h7-8H2,1-6H3 |
| Smiles | CC1=C(C(=C2C(=C1OC)OCO2)OC)C3=C(C(=C4C(=C3OC)OCO4)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Colubrina Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mosla Scabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Orthosiphon Wulfenioides (Plant) Rel Props:Source_db:npass_chem_all